4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane

C12H23BO2 — CID 174097327

IUPAC4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane
SMILESCC(C)/C=C/CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-10(2)8-7-9-13-14-11(3,4)12(5,6)15-13/h7-8,10H,9H2,1-6H3/b8-7+
InChIKeySNLRBMWNSMPSCV-BQYQJAHWSA-N
MW210.13 g/mol
LogP3.29
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane (PubChem CID 174097327) has the molecular formula C12H23BO2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane
PubChem CID174097327
Molecular FormulaC12H23BO2
Molecular Weight210.13 g/mol
Exact Mass210.18
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane
SMILESCC(C)/C=C/CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-10(2)8-7-9-13-14-11(3,4)12(5,6)15-13/h7-8,10H,9H2,1-6H3/b8-7+
InChIKeySNLRBMWNSMPSCV-BQYQJAHWSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

phenyl (2Z,5Z)-4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,5-dienoate
CID 177488271
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 11471561
(E)-2,6-dimethylhept-3-ene
CID 5364654
4,4,5,5-tetramethyl-2-[(2S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
CID 170898250
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 164967588
2-(2-cyclopentylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135081938
(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine
CID 10777378
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
CID 143883669
(E)-2,6-dimethylhept-3-ene;methane
CID 158228697
2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132522713
2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140824906
ditert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]propanedioate
CID 154712539

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane (CID 174097327) is 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane is CC(C)/C=C/CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane?
The InChIKey is SNLRBMWNSMPSCV-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H23BO2/c1-10(2)8-7-9-13-14-11(3,4)12(5,6)15-13/h7-8,10H,9H2,1-6H3/b8-7+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane has a molecular weight of 210.13 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 174097327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).